MMsINC Database Search


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MMsINC code: MMs01954320

Type: Neutral
Formula: C₁₉H₁₉NO₆

SMILES:

O(C)c1ccc(cc1)CC(=O)Nc1cc(ccc1C(OC)=O)C(OC)=O

InChI:

InChI=1/C19H19NO6/c1-24-14-7-4-12(5-8-14)10-17(21)20-16-11-13(18(22)25-2)6-9-15(16)19(23)26-3/h4-9,11H,10H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.751 kcal/mol

Physical Properties
Molecular Weight: 357.362 g/mol	logS: -4.23018	SlogP: 2.44957	Reactive groups: 0

Topological Properties
Globularity: 0.0623013	Sterimol/B1: 2.28755	Sterimol/B2: 5.38009	Sterimol/B3: 6.87896
Sterimol/B4: 7.01068	Sterimol/L: 16.5541

Surface and Volume Properties
Accessible surface: 641.486	Positive charged surface: 472.317	Negative charged surface: 169.169	Volume: 332.625
Hydrophobic surface: 534.27	Hydrophilic surface: 107.216

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.